%chk=000047082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047082

0 1
 O   -1.099300     -0.2248000      -1.845900    
 O    1.103300      0.3198000      -1.844000    
 O   1.1900000E-02 -3.5000001E-03  0.1932000    
 N   -4.482200       1.025200       1.346300    
 N    4.470800      -1.095800       1.294900    
 C   -3.940500      9.2799999E-02  0.4372000    
 C    3.932800     -0.1167000      0.4338000    
 C   -2.773700      0.3990000     -0.2635000    
 C    2.770100     -0.3860000     -0.2883000    
 C   -2.237600     -0.5234000      -1.162100    
 C    2.267800      0.5894000      -1.120600    
 C   -4.570900      -1.135800      0.2396000    
 C    4.563200       1.121100      0.3054000    
 C   -5.226700      0.5733000       2.504700    
 C   -4.289300       2.447100       1.141400    
 C    5.208800     -0.7056000       2.479700    
 C    4.280500      -2.504900       1.013700    
 C   -2.868100      -1.751700      -1.360300    
 C    2.868000       1.820100      -1.268300    
 C   -4.034700      -2.058000     -0.6593000    
 C    4.030700       2.089500     -0.5461000    
 C   1.5100000E-02  2.9100001E-02  -1.031700    
 H   -2.274700       1.354800     -0.1266000    
 H    2.269800      -1.346500     -0.2110000    
 H   -5.486600      -1.400900      0.7603000    
 H    5.475900       1.358700      0.8442000    
 H   -6.250500      0.3021000       2.226600    
 H   -5.289800       1.359400       3.265500    
 H   -4.743800     -0.2875000       2.981200    
 H   -4.414800       2.722000      8.8100001E-02
 H   -3.294200       2.756400       1.477900    
 H   -5.024100       3.030500       1.707600    
 H    5.268700      -1.530900       3.198000    
 H    4.722600      0.1283000       2.998700    
 H    6.233800     -0.4194000       2.221800    
 H    3.283200      -2.831900       1.326200    
 H    5.011700      -3.117300       1.553100    
 H    4.413300      -2.723400     -5.2000001E-02
 H   -2.455500      -2.473900      -2.059300    
 H    2.453200       2.572800      -1.931200    
 H   -4.526700      -3.013500     -0.8158000    
 H    4.522500       3.052400     -0.6489000    


%chk=000047082-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047082

0 1
O -1.094564 0.057212 -1.654596
O 1.090614 0.052263 -1.653743
O -0.002970 -0.001960 0.444709
N -4.711930 -0.043932 1.752375
N 4.706218 -0.073374 1.754729
C -4.277920 0.000460 0.422970
C 4.272858 -0.022939 0.425264
C -2.876419 0.006529 0.125138
C 2.871432 -0.012458 0.126759
C -2.465549 0.049040 -1.219173
C 2.461281 0.039111 -1.217453
C -5.210528 0.040039 -0.661922
C 5.205976 0.018869 -0.659037
C -6.147564 -0.041810 2.054698
C -3.732246 -0.078968 2.845251
C 6.141731 -0.088747 2.057154
C 3.726203 -0.122607 2.846813
C -3.373577 0.087543 -2.297979
C 3.369874 0.080870 -2.295634
C -4.750409 0.082630 -1.992818
C 4.746529 0.069834 -1.989876
C -0.002328 0.031974 -0.805529
H -2.129175 -0.019335 0.915898
H 2.123633 -0.041704 0.916779
H -6.286473 0.037745 -0.470574
H 6.281863 0.011621 -0.467349
H -6.648833 0.873637 1.677593
H -6.291631 -0.080693 3.145948
H -6.663952 -0.918669 1.612452
H -3.081561 0.819403 2.846297
H -3.076220 -0.970955 2.782185
H -4.261823 -0.115993 3.810308
H 6.285200 -0.124960 3.148570
H 6.653218 0.819467 1.676974
H 6.648400 -0.973092 1.618034
H 3.066516 0.768913 2.849109
H 4.255479 -0.154883 3.812216
H 3.079264 -1.021297 2.781682
H -2.998343 0.120032 -3.323295
H 2.995176 0.119652 -3.320927
H -5.480072 0.112562 -2.809594
H 5.476620 0.101371 -2.806208


